| SpectraBase Compound ID | E9PSzXln5Cm |
|---|---|
| InChI | InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-6-4-2/h3-21H2,1-2H3 |
| InChIKey | AZOJXXRRDNMTMW-UHFFFAOYSA-N |
| Mol Weight | 340.6 g/mol |
| Molecular Formula | C22H44O2 |
| Exact Mass | 340.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIyscmDh9aL |
|---|---|
| Name | Heptadecanoic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.334130655 u |
| Formula | C22H44O2 |
| InChI | InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-6-4-2/h3-21H2,1-2H3 |
| InChIKey | AZOJXXRRDNMTMW-UHFFFAOYSA-N |
| Molecular Weight | 340.592 g/mol |
| SMILES | C(CCC(OCCCCC)=O)CCCCCCCCCCCCC |